3-((3-Chlorophenyl) thio)benzo[b] thiophen-2-amine hydrochloride

C14H9ClNS2 — CID 140841358

IUPAC—
SMILES[NH]c1sc2ccccc2c1Sc1cccc(Cl)c1
InChIInChI=1S/C14H9ClNS2/c15-9-4-3-5-10(8-9)17-13-11-6-1-2-7-12(11)18-14(13)16/h1-8,16H
InChIKeyCKHKHBSJSOGXET-UHFFFAOYSA-N
MW290.82 g/mol
LogP5.62
Rot. Bonds2

About 3-((3-Chlorophenyl) thio)benzo[b] thiophen-2-amine hydrochloride

3-((3-Chlorophenyl) thio)benzo[b] thiophen-2-amine hydrochloride (PubChem CID 140841358) has the molecular formula C14H9ClNS2 and a molecular weight of 290.82 g/mol.

Molecular Properties

Compound Name3-((3-Chlorophenyl) thio)benzo[b] thiophen-2-amine hydrochloride
PubChem CID140841358
Molecular FormulaC14H9ClNS2
Molecular Weight290.82 g/mol
Exact Mass289.99
IUPAC Name—
SMILES[NH]c1sc2ccccc2c1Sc1cccc(Cl)c1
InChIInChI=1S/C14H9ClNS2/c15-9-4-3-5-10(8-9)17-13-11-6-1-2-7-12(11)18-14(13)16/h1-8,16H
InChIKeyCKHKHBSJSOGXET-UHFFFAOYSA-N
XLogP5.62
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.82
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-((3-Chlorophenyl) thio)benzo[b] thiophen-2-amine hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-((3-Chlorophenyl) thio)benzo[b] thiophen-2-amine hydrochloride?
The IUPAC name of 3-((3-Chlorophenyl) thio)benzo[b] thiophen-2-amine hydrochloride (CID 140841358) is not available.
What is the SMILES notation for 3-((3-Chlorophenyl) thio)benzo[b] thiophen-2-amine hydrochloride?
The canonical SMILES for 3-((3-Chlorophenyl) thio)benzo[b] thiophen-2-amine hydrochloride is [NH]c1sc2ccccc2c1Sc1cccc(Cl)c1.
What is the InChIKey of 3-((3-Chlorophenyl) thio)benzo[b] thiophen-2-amine hydrochloride?
The InChIKey is CKHKHBSJSOGXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClNS2/c15-9-4-3-5-10(8-9)17-13-11-6-1-2-7-12(11)18-14(13)16/h1-8,16H.
What are the key properties of 3-((3-Chlorophenyl) thio)benzo[b] thiophen-2-amine hydrochloride?
3-((3-Chlorophenyl) thio)benzo[b] thiophen-2-amine hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-((3-Chlorophenyl) thio)benzo[b] thiophen-2-amine hydrochloride is sourced from PubChem (CID 140841358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).